Vitas-M small molecule compound

2-phenylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK043045
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C32H30BrNO5 MW 588.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30BrNO5/c1-19-28(32(37)39-14-13-20-9-5-3-6-10-20)29(23-15-24(33)31(36)27(18-23)38-2)30-25(34-19)16-22(17-26(30)35)21-11-7-4-8-12-21/h3-12,15,18,22,29,34,36H,13-14,16-17H2,1-2H3
InChIKey
UROPEGASBUUIRH-UHFFFAOYSA-N
Synonyms

2phenylethyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OCCC5=CC=CC=C5
COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1
InChI=1SC32H30BrNO5c11928(32(37)3914132095361020)29(231524(33)31(36)27(1823)382)3025(3419)1622(1726(30)35)21117481221h312151822293436H13141617H212H3
MFCD01445618
STK043045
ZINC000033353434
ZINC000033353437

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Available files

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